EP2936545B1 - Verschachtelung zur verbesserung der abtastung von daten beim sortieren von parametern - Google Patents

Verschachtelung zur verbesserung der abtastung von daten beim sortieren von parametern Download PDF

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EP2936545B1
EP2936545B1 EP13865744.0A EP13865744A EP2936545B1 EP 2936545 B1 EP2936545 B1 EP 2936545B1 EP 13865744 A EP13865744 A EP 13865744A EP 2936545 B1 EP2936545 B1 EP 2936545B1
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values
ramped
mass spectrometer
scans
desired range
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EP2936545A1 (de
EP2936545A4 (de
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David M. Cox
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DH Technologies Development Pte Ltd
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    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/0027—Methods for using particle spectrometers
    • H01J49/0036—Step by step routines describing the handling of the data generated during a measurement
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/0027—Methods for using particle spectrometers
    • H01J49/0031—Step by step routines describing the use of the apparatus
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/004—Combinations of spectrometers, tandem spectrometers, e.g. MS/MS, MSn
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/26—Mass spectrometers or separator tubes

Definitions

  • the fragmentation or the separation of a compound may be dependent upon a parameter of the mass spectrometer or the separation device.
  • WO 2011/091023 A1 discloses techniques for performing mass spectroscopy.
  • a system for interlacing ramped mass spectrometer parameter values during data acquisition in order to maintain a desired range and step size for the values.
  • the system includes a mass spectrometer and a processor.
  • the mass spectrometer is capable of repeatedly acquiring ions from a sample within a cycle time, Ct. Also, the mass spectrometer is capable of performing, within each Ct, two or more scans of the acquired ions using two or more ramped values for a parameter of mass spectrometer. Each of the two or more scans occurs within a step time, St, and each of the two or more ramped values vary by a step size, Ss.
  • the processor calculates if scans for a desired range of ramped values for the parameter can be performed within the cycle time, Ct, of the mass spectrometer.
  • the processor performs the calculation using the desired range of ramped values, step time, St, and step size, Ss. If the scans for the desired range cannot be performed within Ct, the processor divides the desired range of ramped values into at least two interlaced groups of ramped values. Each of the ramped values in each of the at least two interlaced groups of ramped values vary by a step size of at least 2Ss.
  • the processor instructs the mass spectrometer to perform scans for each of the at least two interlaced groups within two or more separate cycle times. Finally, the processor combines spectra from the scans for each of the at least two interlaced groups. Combined spectra for the two or more separate cycle times are produced that span the desired range and have an effective step size of Ss across the desired range.
  • a method for interlacing ramped mass spectrometer parameter values during data acquisition in order to maintain a desired range and step size for the values is disclosed. Ions from a sample are repeatedly acquired within a cycle time, Ct, using a mass spectrometer. Within each Ct, two or more scans of the acquired ions are performed using two or more ramped values for a parameter of the mass spectrometer. Each of the two or more scans occurs within a step time, St, and each of the two or more ramped values vary by a step size, Ss.
  • a calculation is made to determine if scans for a desired range of ramped values for the parameter can be performed within Ct using the desired range of ramped values, St, and Ss and using a processor. If it is determined that scans for the desired range cannot be performed within Ct, the desired range of ramped values is divided into at least two interlaced groups of ramped values using the processor. Each of the ramped values in each of the at least two interlaced groups of ramped values vary by a step size of at least 2Ss.
  • the mass spectrometer is instructed to perform scans for each of the at least two interlaced groups within two or more separate cycle times using the processor. Spectra from the scans for each of the at least two interlaced groups are combined using the processor. Combined spectra for the two or more separate cycle times are produced that span the desired range and have an effective step size of Ss across the desired range.
  • a computer program product includes a non-transitory and tangible computer-readable storage medium whose contents include a program with instructions being executed on a processor so as to perform a method for interlacing ramped mass spectrometer parameter values during data acquisition in order to maintain a desired range and step size for the values.
  • the method includes providing a system, wherein the system comprises one or more distinct software modules, and wherein the distinct software modules comprise a control module and an analysis module.
  • the control module instructs a mass spectrometer to repeatedly acquire ions from a sample within a cycle time, Ct.
  • the control module also instructs the mass spectrometer to perform two or more scans of the acquired ions within each Ct using two or more ramped values for a parameter of the mass spectrometer.
  • Each of the two or more scans occurs within a step time, St, and each of the two or more ramped values vary by a step size, Ss.
  • the analysis module calculates if scans for a desired range of ramped values for the parameter can be performed within Ct.
  • the analysis module performs the calculation using the desired range of ramped values, St, and Ss.
  • the analysis module divides the desired range of ramped values into at least two interlaced groups of ramped values. Each of the ramped values in each of the at least two interlaced groups of ramped values vary by a step size of at least 2Ss. Then the control module instructs the mass spectrometer to perform scans for each of the at least two interlaced groups within two or more separate cycle times. The analysis module combines spectra from the scans for each of the at least two interlaced groups. The analysis module produces combined spectra for the two or more separate cycle times that span the desired range and have an effective step size of Ss across the desired range.
  • FIG. 1 is a block diagram that illustrates a computer system 100, upon which embodiments of the present teachings may be implemented.
  • Computer system 100 includes a bus 102 or other communication mechanism for communicating information, and a processor 104 coupled with bus 102 for processing information.
  • Computer system 100 also includes a memory 106, which can be a random access memory (RAM) or other dynamic storage device, coupled to bus 102 for storing instructions to be executed by processor 104.
  • Memory 106 also may be used for storing temporary variables or other intermediate information during execution of instructions to be executed by processor 104.
  • Computer system 100 further includes a read only memory (ROM) 108 or other static storage device coupled to bus 102 for storing static information and instructions for processor 104.
  • a storage device 110 such as a magnetic disk or optical disk, is provided and coupled to bus 102 for storing information and instructions.
  • Computer system 100 may be coupled via bus 102 to a display 112, such as a cathode ray tube (CRT) or liquid crystal display (LCD), for displaying information to a computer user.
  • a display 112 such as a cathode ray tube (CRT) or liquid crystal display (LCD)
  • An input device 114 is coupled to bus 102 for communicating information and command selections to processor 104.
  • cursor control 116 is Another type of user input device, such as a mouse, a trackball or cursor direction keys for communicating direction information and command selections to processor 104 and for controlling cursor movement on display 112.
  • This input device typically has two degrees of freedom in two axes, a first axis ( i . e ., x) and a second axis ( i . e ., y), that allows the device to specify positions in a plane.
  • a computer system 100 can perform the present teachings. Consistent with certain implementations of the present teachings, results are provided by computer system 100 in response to processor 104 executing one or more sequences of one or more instructions contained in memory 106. Such instructions may be read into memory 106 from another computer-readable medium, such as storage device 110. Execution of the sequences of instructions contained in memory 106 causes processor 104 to perform the process described herein. Alternatively hard-wired circuitry may be used in place of or in combination with software instructions to implement the present teachings. Thus implementations of the present teachings are not limited to any specific combination of hardware circuitry and software.
  • Non-volatile media includes, for example, optical or magnetic disks, such as storage device 110.
  • Volatile media includes dynamic memory, such as memory 106.
  • Transmission media includes coaxial cables, copper wire, and fiber optics, including the wires that comprise bus 102.
  • Computer-readable media include, for example, a floppy disk, a flexible disk, hard disk, magnetic tape, or any other magnetic medium, a CD-ROM, digital video disc (DVD), a Blu-ray Disc, any other optical medium, a thumb drive, a memory card, a RAM, PROM, and EPROM, a FLASH-EPROM, any other memory chip or cartridge, or any other tangible medium from which a computer can read.
  • Various forms of computer readable media may be involved in carrying one or more sequences of one or more instructions to processor 104 for execution.
  • the instructions may initially be carried on the magnetic disk of a remote computer.
  • the remote computer can load the instructions into its dynamic memory and send the instructions over a telephone line using a modem.
  • a modem local to computer system 100 can receive the data on the telephone line and use an infra-red transmitter to convert the data to an infra-red signal.
  • An infra-red detector coupled to bus 102 can receive the data carried in the infra-red signal and place the data on bus 102.
  • Bus 102 carries the data to memory 106, from which processor 104 retrieves and executes the instructions.
  • the instructions received by memory 106 may optionally be stored on storage device 110 either before or after execution by processor 104.
  • instructions configured to be executed by a processor to perform a method are stored on a computer-readable medium.
  • the computer-readable medium can be a device that stores digital information.
  • a computer-readable medium includes a compact disc read-only memory (CD-ROM) as is known in the art for storing software.
  • CD-ROM compact disc read-only memory
  • the computer-readable medium is accessed by a processor suitable for executing instructions configured to be executed.
  • a separation device when used together with a fast liquid chromatography (LC) system, the ramping of a parameter of the separation device can become the limiting factor.
  • One exemplary separation device is a differential mobility separation (DMS) device. Separations can be varied for one or more compounds using a DMS device by ramping the compensation voltage (CoV) of the DMS.
  • CoV compensation voltage
  • LC liquid chromatography
  • the speed at which data can be acquired at each step of the ramp is the limiting factor. In order to maintain an adequate cycle time for fast LC separations requires sacrificing the DMS separation range.
  • the most common application of this workflow is combining a CoV ramp of the DMS with scans from a time-of-flight (TOF) instrument at each step during an LC acquisition.
  • TOF time-of-flight
  • the resulting data can be used for qualitative analysis of compounds, analysis of unknowns, or optimization of DMS settings for quantitation on the TOF instrument.
  • the CoV parameter of the DMS affects how a compound is separated. It is not known beforehand how the separation of a particular compound varies with the CoV parameter. As a result, it is common to try to scan through a range of CoV values to determine the optimum value for one or more compounds, or to see how two different compounds separate. A brute force approach is to ramp the CoV parameter on every cycle across a range. However, as described above, it may not be possible to acquire data fast enough to adequately sample the ramp of the CoV parameter. Consequently, the ramping of the CoV parameter is conventionally performed with a larger step size or the range of CoV values is reduced.
  • interlacing is used to maintain the effective step size and range of the ramp of a fragmentation or separation parameter.
  • the interlacing allows the ramp of the fragmentation or separation parameter to effectively keep up with the acquisitions of a fast scanning instrument.
  • the CoV ramp of a DMS device can be interlaced as follows. On cycle 1, CoVs of 0, 2, 4, 6, 8, and 10 are acquired. On cycle 2, CoVs of 1, 3, 5, 7, 9, and 11 are acquired. Interlacing enables faster cycle times, while preserving a high resolution sampling of the CoV space. If it currently takes 2 seconds to ramp the CoV across the desired range, interlacing would enable the same CoV range to be covered in 1 second. Or put another way, this effectively increases the resolution in the CoV domain (smaller effective step size) without increasing cycle time.
  • the combined signal has a higher resolution that the scanning rate.
  • the signal of the LC is not changing too quickly, the interlaced signals can be combined without significant error.
  • interlacing is used to avoid the tradeoffs of a larger effective step size or a reduced range of CoV values.
  • interlacing of the ramping of a mass spectrometer parameter has been described with respect to a DMS device and the CoV parameter.
  • the method is not limited to any device or instrument, and the parameter is not limited to any separation or fragmentation parameter.
  • interlacing can also be applied to the ramping of the collision energy parameter of a collision cell of a mass spectrometer.
  • FIG. 2 is a schematic diagram showing a system 200 for interlacing ramped mass spectrometer parameter values during data acquisition in order to maintain a desired range and step size for the values, in accordance with various embodiments.
  • System 200 includes mass spectrometer 210 and processor 220.
  • Mass spectrometer 210 can include one or more physical mass analyzers that perform one or more mass analyses.
  • a mass analyzer of a tandem mass spectrometer can include , but is not limited to, a time-of-flight (TOF), quadrupole, an ion trap, a linear ion trap, an orbitrap, or a Fourier transform mass analyzer.
  • Mass spectrometer 210 can also include a one or more separation devices (not shown). The separation device can perform a separation technique that includes, but is not limited to, liquid chromatography, gas chromatography, capillary electrophoresis, or ion mobility.
  • Mass spectrometer 210 can include separating mass spectrometry stages or steps in space or time, respectively.
  • Processor 220 can be, but is not limited to, a computer, microprocessor, or any device capable of sending and receiving control signals and data to and from mass spectrometer 210 and processing data. Processor 220 is in communication with mass spectrometer 210.
  • Mass spectrometer 210 is capable of repeatedly acquiring ions from a sample within a cycle time, Ct. Also, mass spectrometer 210 is capable of performing, within each Ct, two or more scans of the acquired ions using two or more ramped values for a parameter of mass spectrometer 210. Each of the two or more scans occurs within a step time, St, and each of the two or more ramped values vary by a step size, Ss. Ramped values for a parameter can be an increasing or decreasing series of values, for example.
  • each Ct mass spectrometer 210 performs two or more scans of the acquired ions using two or more ramped values for a parameter of a fragmentation device of mass spectrometer 210.
  • the parameter affects the fragmentation of the acquired ions.
  • the parameter can be a collision energy (CE) and the fragmentation device can be a collision cell of mass spectrometer 210, for example.
  • CE collision energy
  • each Ct mass spectrometer 210 performs two or more scans of the acquired ions using two or more ramped values for a parameter of a separation device of mass spectrometer 210.
  • the parameter affects the separation of the acquired ions.
  • the parameter can be a compensation voltage (CoV) and the separation device can be a differential mobility (DMS) separation device of mass spectrometer 210, for example.
  • CoV compensation voltage
  • DMS differential mobility
  • Processor 220 calculates if scans for a desired range of ramped values for the parameter can be performed within the cycle time, Ct, of mass spectrometer 210. Processor 220 performs the calculation using the desired range of ramped values, step time, St, and step size, Ss. A desired range for the ramped values is received from a user or generated by default by the processor, for example.
  • processor 220 divides the desired range of ramped values into at least two interlaced groups of ramped values. Each of the ramped values in each of the at least two interlaced groups of ramped values vary by a step size of at least 2Ss. Processor 220 instructs mass spectrometer 210 to perform scans for each of the at least two interlaced groups within two or more separate cycle times. Finally, processor 220 combines spectra from the scans for each of the at least two interlaced groups. Combined spectra for the two or more separate cycle times are produced that span the desired range and have an effective step size of Ss across the desired range. As a result, by interlacing the ramped values for the parameter there is no reduction in the desired range or effective step size of the ramped values.
  • Figure 3 is an exemplary flowchart showing a method 300 for interlacing ramped mass spectrometer parameter values during data acquisition in order to maintain a desired range and step size for the values, in accordance with various embodiments.
  • step 310 of method 300 ions from a sample are repeatedly acquired within a cycle time, Ct, using a mass spectrometer. Within each Ct, two or more scans of the acquired ions are performed using two or more ramped values for a parameter of the mass spectrometer. Each of the two or more scans occurs within a step time, St, and each of the two or more ramped values vary by a step size, Ss.
  • step 320 a calculation is made to determine if scans for a desired range of ramped values for the parameter can be performed within Ct using the desired range of ramped values, St, and Ss and using a processor.
  • step 330 it is determined that scans for the desired range cannot be performed within Ct.
  • step 340 the desired range of ramped values is divided into at least two interlaced groups of ramped values using the processor.
  • Each of the ramped values in each of the at least two interlaced groups of ramped values vary by a step size of at least 2Ss.
  • step 350 the mass spectrometer is instructed to perform scans for each of the at least two interlaced groups within two or more separate cycle times using the processor.
  • step 360 spectra from the scans for each of the at least two interlaced groups are combined using the processor. Combined spectra for the two or more separate cycle times are produced that span the desired range and have an effective step size of Ss across the desired range.
  • computer program products include a tangible computer-readable storage medium whose contents include a program with instructions being executed on a processor so as to perform a method for interlacing ramped mass spectrometer parameter values during data acquisition in order to maintain a desired range and step size for the values. This method is performed by a system that includes one or more distinct software modules.
  • FIG. 4 is a schematic diagram of a system 400 that includes one or more distinct software modules that performs a method for interlacing ramped mass spectrometer parameter values during data acquisition in order to maintain a desired range and step size for the values, in accordance with various embodiments.
  • System 400 includes control module 410 and analysis module 420.
  • Control module 410 instructs a mass spectrometer to repeatedly acquire ions from a sample within a cycle time, Ct. Control module 410 also instructs the mass spectrometer to perform two or more scans of the acquired ions within each Ct using two or more ramped values for a parameter of the mass spectrometer. Each of the two or more scans occurs within a step time, St, and each of the two or more ramped values vary by a step size, Ss.
  • Analysis module 420 calculates if scans for a desired range of ramped values for the parameter can be performed within Ct. Analysis module 420 performs the calculation using the desired range of ramped values, St, and Ss.
  • analysis module 420 divides the desired range of ramped values into at least two interlaced groups of ramped values. Each of the ramped values in each of the at least two interlaced groups of ramped values vary by a step size of at least 2Ss. Then control module 410 instructs the mass spectrometer to perform scans for each of the at least two interlaced groups within two or more separate cycle times. Analysis module 420 combines spectra from the scans for each of the at least two interlaced groups. Analysis module 420 produces combined spectra for the two or more separate cycle times that span the desired range and have an effective step size of Ss across the desired range.
  • the specification may have presented a method and/or process as a particular sequence of steps.
  • the method or process should not be limited to the particular sequence of steps described.
  • other sequences of steps may be possible. Therefore, the particular order of the steps set forth in the specification should not be construed as limitations on the claims.
  • the claims directed to the method and/or process should not be limited to the performance of their steps in the order written, and one skilled in the art can readily appreciate that the sequences may be varied and still remain within the scope of the various embodiments. The scope is defined in the claims.

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Claims (15)

  1. System zum Verschachteln von Rampenwerten von Massenspektrometer-Parametern während Datenerfassung, um einen gewünschten Bereich und Schrittgröße für die Werte beizubehalten, umfassend:
    ein Massenspektrometer, das konfiguriert ist, um wiederholt Ionen von einer Probe innerhalb einer Zykluszeit Ct und innerhalb jeder Ct zu erfassen, um zwei oder mehr Scans der erfassten Ionen unter Verwendung von zwei oder mehr Rampenwerten für einen Parameter des Massenspektrometers durchzuführen, wobei jeder von den zwei oder mehr Scans innerhalb einer Schrittzeit St auftritt, und jeder der zwei oder mehr Rampenwerte um eine Schrittgröße Ss variiert, und
    einen Prozessor in Kommunikation mit dem Massenspektrometer, der konfiguriert ist, um
    zu berechnen, ob Scans für einen gewünschten Bereich von Rampenwerten für den Parameter innerhalb von Ct unter Verwendung des gewünschten Bereichs von Rampenwerten, St und Ss, durchgeführt werden können, und
    wenn die Scans für den gewünschten Bereich nicht innerhalb von Ct durchgeführt werden können,
    den gewünschten Bereich von Rampenwerten in mindestens zwei verschachtelte Gruppen von Rampenwerten zu teilen, wobei jeder der Rampenwerte in jeder der mindestens zwei verschachtelten Gruppen von Rampenwerten um eine Schrittgröße von mindestens 2Ss variiert und wobei die mindestens zwei verschachtelte Gruppen von Rampenwerten unterschiedliche alternierende Werte innerhalb des gewünschten Bereichs aufweisen,
    das Massenspektrometer anzuweisen, Scans für jede der mindestens zwei verschachtelten Gruppen innerhalb von zwei oder mehr getrennten Zykluszeiten durchzuführen, und
    Spektren aus den Scans für jede der mindestens zwei verschachtelten Gruppen zu kombinieren, um kombinierte Spektren für die zwei oder mehr getrennten Zykluszeiten zu erzeugen, die den gewünschten Bereich überspannen und eine effektive Schrittgröße von Ss über den gewünschten Bereich aufweisen.
  2. System einer beliebigen Kombination der vorhergehenden Systemansprüche, wobei das Massenspektrometer konfiguriert ist, um innerhalb jeder Ct zwei oder mehr Scans der erfassten Ionen unter Verwendung von zwei oder mehr Rampenwerten für einen Parameter einer Fragmentierungsvorrichtung des Massenspektrometers durchzuführen.
  3. System einer beliebigen Kombination der vorhergehenden Systemansprüche, wobei der Parameter Kollisionsenergie (CE) umfasst und die Fragmentierungsvorrichtung eine Kollisionszelle umfasst.
  4. System einer beliebigen Kombination der vorhergehenden Systemansprüche, wobei das Massenspektrometer konfiguriert ist, um innerhalb jeder Ct zwei oder mehr Scans der erfassten Ionen unter Verwendung von zwei oder mehr Rampenwerten für einen Parameter einer Trennungsvorrichtung des Massenspektrometers durchzuführen.
  5. System einer beliebigen Kombination der vorhergehenden Systemansprüche, wobei der Parameter eine Kompensationsspannung (CoV) umfasst und die Trennungsvorrichtung eine differentielle Mobilität (DMS) umfasst.
  6. Verfahren zum Verschachteln von Rampenwerten von Massenspektrometer-Parametern während Datenerfassung, um einen gewünschten Bereich und Schrittgröße für die Werte beizubehalten, umfassend:
    wiederholtes Erfassen von Ionen von einer Probe innerhalb einer Zykluszeit Ct und innerhalb jeder Ct Durchführen von zwei oder mehr Scans der erfassten Ionen unter Verwendung von zwei oder mehr Rampenwerten für einen Parameter des Massenspektrometers, wobei jeder von den zwei oder mehr Scans innerhalb einer Schrittzeit St auftritt, und jeder der zwei oder mehr Rampenwerte um eine Schrittgröße Ss variiert, und
    Berechnen, ob Scans für einen gewünschten Bereich von Rampenwerten für den Parameter innerhalb von Ct unter Verwendung des gewünschten Bereichs von Rampenwerten, St und Ss, durchgeführt werden können und unter Verwendung eines Prozessors, und
    wenn die Scans für den gewünschten Bereich nicht innerhalb von Ct durchgeführt werden können,
    Teilen des gewünschten Bereichs von Rampenwerten in mindestens zwei verschachtelte Gruppen von Rampenwerten unter Verwendung des Prozessors, wobei jeder der Rampenwerte in jeder der mindestens zwei verschachtelten Gruppen von Rampenwerten um eine Schrittgröße von mindestens 2Ss variiert und wobei die mindestens zwei verschachtelten Gruppen von Rampenwerten unterschiedliche alternierende Werte innerhalb des gewünschten Bereichs aufweisen,
    Anweisen des Massenspektrometers, Scans für jede der mindestens zwei verschachtelten Gruppen innerhalb von zwei oder mehr getrennten Zykluszeiten unter Verwendung des Prozessors durchzuführen, und
    Kombinieren von Spektren aus den Scans für jede der mindestens zwei verschachtelten Gruppen unter Verwendung des Prozessors, um kombinierte Spektren für die zwei oder mehr getrennten Zykluszeiten zu erzeugen, die den gewünschten Bereich überspannen und eine effektive Schrittgröße von Ss über den gewünschten Bereich aufweisen.
  7. Verfahren einer beliebigen Kombination der vorhergehenden Verfahrensansprüche, wobei das Massenspektrometer innerhalb jeder Ct zwei oder mehr Scans der erfassten Ionen unter Verwendung von zwei oder mehr Rampenwerten für einen Parameter einer Fragmentierungsvorrichtung des Massenspektrometers durchführt.
  8. Verfahren einer beliebigen Kombination der vorhergehenden Verfahrensansprüche, wobei der Parameter Kollisionsenergie (CE) umfasst und die Fragmentierungsvorrichtung eine Kollisionszelle umfasst.
  9. Verfahren einer beliebigen Kombination der vorhergehenden Verfahrensansprüche, wobei das Massenspektrometer innerhalb jeder Ct zwei oder mehr Scans der erfassten Ionen unter Verwendung von zwei oder mehr Rampenwerten für einen Parameter einer Trennungsvorrichtung des Massenspektrometers durchführt.
  10. Verfahren einer beliebigen Kombination der vorhergehenden Verfahrensansprüche, wobei der Parameter eine Kompensationsspannung (CoV) umfasst und die Trennungsvorrichtung eine differentielle Mobilität (DMS) umfasst.
  11. Computerprogrammprodukt, umfassend ein nichtflüchtiges und materielles computerlesbares Speichermedium, dessen Inhalte ein Programm mit Anweisungen beinhalten, die auf einem Prozessor ausgeführt werden, um ein Verfahren zum Verschachteln von Rampenwerten von Massenspektrometer-Parametern während Datenerfassung, um einen gewünschten Bereich und Schrittgröße für die Werte beizubehalten, das Verfahren umfassend:
    Bereitstellen eines Systems, wobei das System ein oder mehrere eindeutige Softwaremodule umfasst, und wobei die eindeutigen Softwaremodule ein Steuermodul und ein Analysenmodul umfassen;
    Anleiten eines Massenspektrometers, wiederholt Ionen von einer Probe innerhalb einer Zykluszeit Ct und innerhalb jeder Ct zu erfassen, um zwei oder mehr Scans der erfassten Ionen unter Verwendung von zwei oder mehr Rampenwerten für einen Parameter des Massenspektrometers unter Verwendung des Steuermodus durchzuführen, wobei jeder von den zwei oder mehr Scans innerhalb einer Schrittzeit St auftritt, und jeder der zwei oder mehr Rampenwerte um eine Schrittgröße Ss variiert, und
    Berechnen, ob Scans für einen gewünschten Bereich von Rampenwerten für den Parameter innerhalb von Ct unter Verwendung des gewünschten Bereichs von Rampenwerten, St und Ss, durchgeführt werden können und unter Verwendung des Steuermoduls, und
    wenn die Scans für den gewünschten Bereich nicht innerhalb von Ct durchgeführt werden können,
    Teilen des gewünschten Bereichs von Rampenwerten in mindestens zwei verschachtelte Gruppen von Rampenwerten unter Verwendung des Analysenmoduls, wobei jeder der Rampenwerte in jeder der mindestens zwei verschachtelten Gruppen von Rampenwerten um eine Schrittgröße von mindestens 2Ss variiert und wobei die mindestens zwei verschachtelte Gruppen von Rampenwerten unterschiedliche alternierende Werte innerhalb des gewünschten Bereichs aufweisen,
    Anweisen des Massenspektrometers, Scans für jede der mindestens zwei verschachtelten Gruppen innerhalb von zwei oder mehr getrennten Zykluszeiten unter Verwendung des Steuermoduls durchzuführen, und
    Kombinieren von Spektren aus den Scans für jede der mindestens zwei verschachtelten Gruppen unter Verwendung des Analysenmoduls, um kombinierte Spektren für die zwei oder mehr getrennten Zykluszeiten zu erzeugen, die den gewünschten Bereich überspannen und eine effektive Schrittgröße von Ss über den gewünschten Bereich aufweisen.
  12. Computerprogrammprodukt einer beliebigen Kombination der vorhergehenden Computerprogrammproduktansprüche, wobei das Massenspektrometer innerhalb jeder Ct zwei oder mehr Scans der erfassten Ionen unter Verwendung von zwei oder mehr Rampenwerten für einen Parameter einer Fragmentierungsvorrichtung des Massenspektrometers durchführt.
  13. Computerprogrammprodukt einer beliebigen Kombination der vorhergehenden Computerprogrammproduktansprüche, wobei der Parameter Kollisionsenergie (CE) umfasst und die Fragmentierungsvorrichtung eine Kollisionszelle umfasst.
  14. Computerprogrammprodukt einer beliebigen Kombination der vorhergehenden Computerprogrammproduktansprüche, wobei das Massenspektrometer innerhalb jeder Ct zwei oder mehr Scans der erfassten Ionen unter Verwendung von zwei oder mehr Rampenwerten für einen Parameter einer Trennungsvorrichtung des Massenspektrometers durchführt.
  15. Computerprogrammprodukt einer beliebigen Kombination der vorhergehenden Computerprogrammproduktansprüche, wobei der Parameter eine Kompensationsspannung (CoV) umfasst und die Trennungsvorrichtung eine differentielle Mobilität (DMS) umfasst.
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